1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H27N3 — CID 81475046

IUPAC1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1ccccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H27N3/c1-5-17-10-14-8-6-7-9-15(14)19-11-13(2)16(12-19)18(3)4/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyQOQQJXBNPDBLGE-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.18
Rot. Bonds5

About 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81475046) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81475046
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNCc1ccccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H27N3/c1-5-17-10-14-8-6-7-9-15(14)19-11-13(2)16(12-19)18(3)4/h6-9,13,16-17H,5,10-12H2,1-4H3
InChIKeyQOQQJXBNPDBLGE-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81475046) is 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNCc1ccccc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is QOQQJXBNPDBLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-17-10-14-8-6-7-9-15(14)19-11-13(2)16(12-19)18(3)4/h6-9,13,16-17H,5,10-12H2,1-4H3.
What are the key properties of 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81475046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).